4-[5-(2,3-difluoro-6-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyridine

C16H14F2N4O — CID 74247116

IUPAC4-[5-(2,3-difluoro-6-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyridine
SMILESCOc1ccc(F)c(F)c1-c1nc(C)nn1-c1ccnc(C)c1
InChIInChI=1S/C16H14F2N4O/c1-9-8-11(6-7-19-9)22-16(20-10(2)21-22)14-13(23-3)5-4-12(17)15(14)18/h4-8H,1-3H3
InChIKeyRFSKTFDWRLKLKU-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.23
Rot. Bonds3

About 4-[5-(2,3-difluoro-6-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyridine

4-[5-(2,3-difluoro-6-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyridine (PubChem CID 74247116) has the molecular formula C16H14F2N4O and a molecular weight of 316.31 g/mol. Its IUPAC name is 4-[5-(2,3-difluoro-6-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyridine.

Molecular Properties

Compound Name4-[5-(2,3-difluoro-6-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyridine
PubChem CID74247116
Molecular FormulaC16H14F2N4O
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name4-[5-(2,3-difluoro-6-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyridine
SMILESCOc1ccc(F)c(F)c1-c1nc(C)nn1-c1ccnc(C)c1
InChIInChI=1S/C16H14F2N4O/c1-9-8-11(6-7-19-9)22-16(20-10(2)21-22)14-13(23-3)5-4-12(17)15(14)18/h4-8H,1-3H3
InChIKeyRFSKTFDWRLKLKU-UHFFFAOYSA-N
XLogP3.23
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[5-(2,3-difluoro-6-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyridine with MolForge

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Related Compounds

N-(3,4-difluorophenyl)-5-(methoxymethyl)-1-(2-methyl-4-pyridinyl)pyrazol-3-amine
CID 67057547
1-methyl-3-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroquinolin-2-one
CID 74244216
1-[4-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]phenyl]-1,2,4-triazole
CID 56899429
2-[5-(2,4-difluoro-3-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine
CID 50950919
5-methoxy-2-methyl-4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]pyridine
CID 146040427
7-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]-4-methyl-1H-quinolin-2-one
CID 70728101
5-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methyl-1,2,4-triazole
CID 14531280
4-fluoro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-amine
CID 121416497
2-chloro-1-(4-chloro-3-fluorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole
CID 66897358
2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-amine
CID 110452762
4-(3,5-dimethylpyrazol-1-yl)-2-methoxypyridine;ethane
CID 144651616
1,2,3,4,5-pentafluoro-6-(4-methoxy-3-methylphenyl)benzene
CID 134628428

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,3-difluoro-6-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyridine?
The IUPAC name of 4-[5-(2,3-difluoro-6-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyridine (CID 74247116) is 4-[5-(2,3-difluoro-6-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyridine.
What is the SMILES notation for 4-[5-(2,3-difluoro-6-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyridine?
The canonical SMILES for 4-[5-(2,3-difluoro-6-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyridine is COc1ccc(F)c(F)c1-c1nc(C)nn1-c1ccnc(C)c1.
What is the InChIKey of 4-[5-(2,3-difluoro-6-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyridine?
The InChIKey is RFSKTFDWRLKLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O/c1-9-8-11(6-7-19-9)22-16(20-10(2)21-22)14-13(23-3)5-4-12(17)15(14)18/h4-8H,1-3H3.
What are the key properties of 4-[5-(2,3-difluoro-6-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyridine?
4-[5-(2,3-difluoro-6-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyridine has a molecular weight of 316.31 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,3-difluoro-6-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyridine is sourced from PubChem (CID 74247116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).